N-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide

C19H24F2N2O3 — CID 172583713

IUPACN-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide
SMILESO=C(NCC1(c2cccc(OC(F)F)n2)CCO1)C1CC12CCCCC2
InChIInChI=1S/C19H24F2N2O3/c20-17(21)26-15-6-4-5-14(23-15)19(9-10-25-19)12-22-16(24)13-11-18(13)7-2-1-3-8-18/h4-6,13,17H,1-3,7-12H2,(H,22,24)
InChIKeyHOESEEISCNAMBE-UHFFFAOYSA-N
MW366.41 g/mol
LogP3.39
Rot. Bonds6

About N-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide

N-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide (PubChem CID 172583713) has the molecular formula C19H24F2N2O3 and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide
PubChem CID172583713
Molecular FormulaC19H24F2N2O3
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC NameN-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide
SMILESO=C(NCC1(c2cccc(OC(F)F)n2)CCO1)C1CC12CCCCC2
InChIInChI=1S/C19H24F2N2O3/c20-17(21)26-15-6-4-5-14(23-15)19(9-10-25-19)12-22-16(24)13-11-18(13)7-2-1-3-8-18/h4-6,13,17H,1-3,7-12H2,(H,22,24)
InChIKeyHOESEEISCNAMBE-UHFFFAOYSA-N
XLogP3.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide (CID 172583713) is N-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide is O=C(NCC1(c2cccc(OC(F)F)n2)CCO1)C1CC12CCCCC2.
What is the InChIKey of N-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide?
The InChIKey is HOESEEISCNAMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O3/c20-17(21)26-15-6-4-5-14(23-15)19(9-10-25-19)12-22-16(24)13-11-18(13)7-2-1-3-8-18/h4-6,13,17H,1-3,7-12H2,(H,22,24).
What are the key properties of N-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide?
N-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide has a molecular weight of 366.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[6-(difluoromethoxy)-2-pyridinyl]oxetan-2-yl]methyl]spiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 172583713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).